return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules

Compare Bonds

18 10 26 16 45

M06-2X/Def2TZVPP for rCBr

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.007 are in the 0.007 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.005 -0.004 -0.003 -0.002 -0.001 0.000 0.001 0.002 0.003 0.004 0.005 0.006 0.007
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CBr4 Carbon tetrabromide-0.004
Most positive difference CHFClBr fluorochlorobromomethane0.007

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CBr4 Carbon tetrabromide 1.942 -0.004
BrCN Cyanogen bromide 1.789 -0.001
CBr Carbon monobromide 1.821 0.001
CH2Br2 dibromomethane 1.925 0.002
C2H5Br Ethyl bromide 1.950 0.003
CH3Br methyl bromide 1.934 0.004
CH2BrCl Methane, bromochloro- 1.928 0.006
CF3Br Bromotrifluoromethane 1.923 0.007
CHFClBr fluorochlorobromomethane 1.928 0.007